NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.3109 8.1749 117.3684 63.6610 70.9402 174.5654 8 K 3.9090 7.7212 124.1929 58.1970 33.1684 175.1617 9 Y 4.9496 8.6091 119.1463 56.6371 42.6240 175.7543 10 D 4.6058 9.6349 124.0337 56.6188 42.6930 176.7263 11 V 5.1388 7.9649 117.7447 61.2219 35.4522 173.5523 12 F 5.1731 9.8863 130.6730 56.5451 41.4953 173.9402 13 L 5.0409 8.0930 127.0085 53.5577 42.8542 175.8688 14 S 4.9637 8.9005 119.9973 56.5643 64.5005 172.8098 15 F 5.3243 7.9914 120.0958 56.4683 40.7885 173.8378 16 R 4.2086 8.9192 120.3343 54.9638 29.6189 176.6948 17 G 4.1254 8.7902 113.2585 48.6702 0.0000 172.8903 18 H 4.0918 8.3828 119.0957 58.9259 29.6706 176.3105 19 D 4.5637 8.1418 119.6266 56.5878 41.4822 177.9966 20 T 5.1470 7.6316 107.8825 60.1253 69.6792 175.4052 21 R 3.5208 8.1359 123.5654 60.0493 30.0285 177.7571 22 H 4.4214 7.9012 111.2930 56.5380 30.7761 175.2890 23 N 4.6468 8.3544 115.0317 52.5941 37.9934 176.0921 24 F 4.1488 9.7981 119.0652 61.4506 39.9444 174.9726 25 I 3.3531 7.7803 119.2127 64.1034 36.8324 178.6039 26 S 3.9452 7.4180 114.9135 61.2918 62.7310 176.7272 27 F 4.0976 7.7160 121.1379 60.0774 38.6522 177.5055 28 L 3.7367 7.7481 120.1783 58.1422 41.8024 178.3472 29 Y 3.9599 8.1220 119.8258 60.4452 38.7381 177.8103 30 K 3.7138 7.8777 120.2223 59.6123 32.3293 178.3192 31 E 3.9039 8.1130 119.4118 59.0945 29.4336 178.7780 32 L 3.8666 7.9396 119.1261 57.8569 41.7587 179.6186 33 V 3.4080 7.4955 118.1723 65.7654 31.0821 177.9318 34 R 3.8798 7.6479 117.6467 59.4218 29.9800 177.9778 35 R 4.2719 7.5365 114.3154 55.7891 29.9764 176.5615 36 S 3.8084 7.6686 113.1370 59.6095 60.7974 171.3252 37 I 4.2183 7.8704 122.0859 60.1164 37.8628 175.9006 38 R 4.3037 9.2917 129.2457 56.6563 30.6272 175.2629 39 T 5.4545 8.7084 116.3308 59.8910 72.0931 172.8621 40 F 4.8214 9.3473 125.9990 56.2449 42.3073 174.3585 41 K 4.3506 6.9258 124.2440 55.1790 34.9403 175.6660 42 D 4.1872 8.2730 124.5203 53.1167 40.1442 174.9357 43 D 4.6955 8.0780 119.8165 53.0980 42.7663 177.7504 44 K 4.1477 7.9754 120.9222 58.1956 31.6713 175.1396 *59 P 4.2488 0.0000 0.0000 62.4106 32.8880 178.4432 60 I 3.2040 7.4157 122.2480 64.8435 37.1320 178.3252 61 E 3.4588 7.9804 118.6510 58.5043 29.4291 177.9007 62 V 4.1440 7.3897 116.6984 61.2185 31.7925 175.0900 63 S 5.1419 7.4420 116.4432 57.2988 64.9906 174.2841 64 R 3.9856 8.9530 125.3358 58.4880 30.9792 176.1112 65 F 5.6350 8.4019 115.6896 55.5610 43.2578 174.8413 66 A 5.2454 9.1534 122.5723 50.4761 21.6626 175.4051 67 V 4.5599 8.9025 123.1257 62.8442 33.0294 175.1716 68 V 4.6101 8.6880 129.6187 61.5080 33.1574 174.9603 69 V 4.4485 8.8818 130.5567 61.6869 31.3394 175.0188 70 V 3.4450 8.4453 128.5379 61.8795 32.2421 175.2396 71 S 5.7375 8.3995 123.4520 55.8053 65.7056 174.3704 72 E 3.9444 9.1133 119.8892 59.3206 29.2874 177.2706 73 N 4.9032 8.7518 113.5779 53.1114 39.3854 175.9776 74 Y 3.8802 8.2932 121.7720 60.8137 38.8237 178.2834 75 A 4.0584 8.1256 119.3815 53.9500 18.6910 178.1152 76 A 3.8681 7.5189 117.8298 53.6421 18.9305 177.9064 77 S 4.3902 7.5716 111.7121 56.6162 63.6242 174.8830 78 S 2.8861 7.8103 125.0296 60.7865 62.6371 176.4811 79 W 4.3358 6.8388 122.0677 59.8469 28.8246 178.0941 80 C 3.8610 7.6847 116.3778 62.5975 27.3484 176.1824 81 L 3.7858 7.2577 120.5795 57.6032 40.9175 179.2866 82 D 4.6133 8.1653 119.2910 57.3109 40.6789 178.3987 83 E 3.9739 8.1339 119.9895 59.1698 29.6052 178.6217 84 L 3.9764 8.1062 120.5791 58.0895 42.0535 179.1758 85 V 3.6527 8.1143 118.3852 66.1484 31.3473 178.0947 86 T 3.5551 8.0348 115.5390 66.6092 68.2233 176.6242 87 I 3.8319 7.9227 121.6662 64.8784 37.2307 178.5779 88 M 4.1737 8.4837 119.7868 58.3773 31.4788 178.5965 89 D 4.4017 8.3022 119.3752 57.0588 40.8080 178.6690 90 F 4.7386 7.7372 118.6503 60.3074 39.0237 177.4920 91 E 4.3327 8.5359 120.7143 58.6494 29.2119 178.7312 92 K 4.0664 8.1428 119.2061 58.6037 32.2163 177.7450 93 K 4.5947 7.4668 117.2623 56.2925 33.3342 176.9580 94 G 3.9638 7.8387 105.5879 47.2561 0.0000 175.5272 95 S 4.2981 8.3841 115.1846 59.6313 63.2595 173.9273 96 I 4.3159 7.2403 118.7088 60.3346 41.4821 172.7440 97 T 4.6744 8.3444 124.3265 62.1124 70.2579 173.6683 98 V 4.8266 8.5599 126.9579 61.9251 33.3279 174.9779 99 M 4.6293 9.2468 128.0250 52.9574 34.1025 173.2870 100 P 4.6321 0.0000 0.0000 62.1840 33.1867 175.9251 101 I 4.6762 8.4692 124.0699 59.5482 40.6019 175.0146 102 F 4.7265 9.3088 128.4507 56.9189 39.7856 174.7321 103 Y 4.3858 9.0920 127.6901 56.6775 38.9761 176.1839 104 G 3.8497 9.2990 113.4195 44.9879 0.0000 171.8082 105 V 4.5589 7.2120 111.2573 59.1073 35.7183 175.2838 106 E 4.0632 8.5569 123.0908 55.4816 30.2232 176.3419 107 P 3.2718 0.0000 0.0000 65.2906 31.2189 178.8533 108 N 4.1538 7.8019 115.3120 55.9773 37.2678 176.9776 109 H 4.8086 7.8343 119.7803 58.2684 28.9058 177.8838 110 V 3.6854 7.5978 119.7489 65.8811 31.3021 177.8828 111 R 3.7134 7.8736 117.8959 58.2356 29.8960 177.5502 112 W 4.8054 7.5858 114.8943 55.1969 30.5285 175.4260 113 Q 3.5799 7.6787 115.8747 57.4064 26.4082 172.5529 114 T 4.7573 7.9257 110.1350 61.1897 72.4792 174.8807 115 G 3.4204 8.3354 109.7284 47.3014 0.0000 177.0853 116 V 3.6897 8.2298 113.8315 64.0188 31.4233 177.9434 117 L 4.5930 8.2274 119.5816 56.6936 41.3463 179.0873 118 A 4.1633 7.7622 121.0664 55.5448 18.2565 179.5783 119 E 3.9859 8.2046 116.2905 59.5851 29.3467 179.5861 120 Q 3.9067 7.8270 116.8877 58.9507 28.7454 178.6559 121 F 3.9559 8.8457 119.1258 59.9009 38.7184 177.7672 122 K 4.0649 8.0494 119.1212 59.1339 32.2288 178.5301 123 K 4.0482 7.8233 119.8287 59.8665 32.2172 178.3775 124 H 4.2072 7.9137 116.2144 59.0831 28.4399 177.5869 125 A 4.1501 8.3923 121.8147 54.9180 18.2802 178.9872 126 S 4.5142 7.7974 110.0797 59.3119 63.5995 174.9953 127 R 4.6457 7.8710 116.3035 55.7722 30.8323 174.1061 128 E 4.6979 7.7993 116.4852 53.5821 33.7764 175.1839 129 D 4.3497 8.2638 119.1702 54.0012 42.6464 175.2335 130 P 4.2353 0.0000 0.0000 65.8131 31.4272 178.4701 131 E 3.9449 8.7986 118.4631 58.8065 29.4832 178.7842 132 K 3.6273 7.6228 119.5094 59.1703 32.2758 178.7622 133 V 3.6132 7.6027 118.5442 66.0995 31.4467 178.0546 134 L 4.0736 7.9507 118.7297 57.4995 41.5080 179.4093 135 K 3.9611 7.9531 119.7892 59.1809 32.1150 178.9290 136 W 4.5446 8.2618 119.2821 60.0932 28.9682 178.6439 137 R 3.9238 8.5008 118.0306 59.2694 29.4022 178.8895 138 Q 3.9609 8.3969 119.1252 59.1102 29.0496 178.2394 139 A 4.0634 8.0502 121.4445 55.2003 18.3816 179.6052 140 L 4.0778 8.0875 117.5036 58.2985 41.5016 179.8812 141 T 3.7334 7.9792 114.6767 66.7989 68.7890 176.1908 142 N 4.5054 8.4427 118.4684 56.0665 38.5413 177.2473 143 F 4.2000 8.8281 122.3700 61.3280 39.3962 176.7625 144 A 4.3995 8.3718 117.8301 53.7912 18.2243 178.2235 145 Q 4.3023 7.5104 115.0023 54.7540 29.7535 175.7396 146 L 4.3398 7.0141 120.5596 53.5989 42.6942 176.8951 147 S 4.2714 8.4860 118.2626 58.8038 63.4539 174.2052 148 G 4.0220 8.1992 113.7202 44.7841 0.0000 170.8195 149 D 5.0743 8.7052 117.8360 52.8058 45.2847 174.7459 150 C 5.5499 8.5883 118.1643 57.6693 31.1348 174.0550 151 S 4.2444 9.2057 117.8595 57.5529 63.1038 173.4840 152 G 4.0937 8.4256 112.3863 45.8867 0.0000 173.9916 153 D 4.4858 8.8219 124.4212 54.8152 41.4393 176.4666 154 D 4.3797 7.5172 119.4100 52.4321 43.1992 174.7737 155 D 4.6107 8.7822 129.0156 57.3174 40.9605 178.7399 156 S 4.1122 8.2069 115.0238 61.4151 62.8216 176.8653 157 K 4.0015 8.1585 121.6036 58.9527 31.9303 178.9170 158 L 4.0027 7.8302 120.3084 58.1663 42.0642 179.2291 159 V 3.5965 8.3833 118.6457 66.0257 31.4472 177.7597 160 D 4.3240 8.0997 118.6790 57.1871 40.6936 178.5944 161 K 3.9060 8.2169 120.1560 59.5460 32.1859 178.7887 162 I 3.6253 7.8523 119.7102 64.3671 37.0809 178.2919 163 A 3.9429 8.0115 121.4166 55.2088 18.1434 179.3901 164 N 4.2376 8.5713 115.3881 56.3694 38.4039 177.2053 165 E 3.8609 8.4181 119.6312 59.4842 30.0416 178.6976 166 I 3.5131 7.7383 119.8029 64.1709 36.8766 178.3192 167 S 4.1131 8.2890 113.5460 61.2472 62.3305 175.1580 168 N 4.7037 8.1612 116.0329 53.4367 38.6249 175.3103 169 K 4.5225 7.8947 121.0203 55.9310 34.1794 176.3161 170 K 4.4799 7.9145 117.3887 56.4430 33.6717 176.6712 171 T 4.0346 8.4709 114.3798 62.5659 67.2517 173.8799 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 7 T 8.17 4.31 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 8 K 7.72 3.91 0.00 1.51 1.38 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.44 7.81 9 Y 8.61 4.95 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 9.63 4.61 0.00 2.89 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.96 5.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.11 0.00 0.00 12 F 9.89 5.17 0.00 3.27 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.09 5.04 0.00 1.60 1.70 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.90 4.96 0.00 4.25 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.99 5.32 0.00 3.08 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.92 4.21 0.00 2.01 2.06 0.00 3.26 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 17 G 8.79 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.38 4.09 0.00 3.14 3.43 0.00 5.92 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.14 4.56 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.63 5.15 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 21 R 8.14 3.52 0.00 2.01 1.84 0.00 2.91 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 22 H 7.90 4.42 0.00 3.19 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.35 4.65 0.00 3.10 2.84 0.00 0.00 5.85 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 9.80 4.15 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.78 3.35 1.64 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 -0.36 0.08 0.00 0.00 26 S 7.42 3.95 0.00 3.82 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 7.72 4.10 0.00 3.03 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.75 3.74 0.00 1.03 1.28 0.81 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.12 3.96 0.00 2.94 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.88 3.71 0.00 1.95 1.93 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.41 7.81 31 E 8.11 3.90 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 32 L 7.94 3.87 0.00 1.69 1.62 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.50 3.41 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.14 0.00 0.00 34 R 7.65 3.88 0.00 1.88 2.06 0.00 3.28 0.00 0.00 3.56 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 35 R 7.54 4.27 0.00 1.82 1.91 0.00 3.32 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 36 S 7.67 3.81 0.00 4.04 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.87 4.22 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.65 0.98 0.00 0.00 38 R 9.29 4.30 0.00 1.98 2.15 0.00 2.88 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.71 0.00 39 T 8.71 5.45 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 40 F 9.35 4.82 0.00 1.53 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 6.93 4.35 0.00 1.66 1.47 0.00 1.14 0.00 0.00 1.01 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.55 0.91 7.81 42 D 8.27 4.19 0.00 2.75 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.08 4.70 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.98 4.15 0.00 1.73 1.78 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.44 1.43 7.81 *59 P 0.00 4.25 0.00 1.97 2.04 0.00 3.45 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.44 0.00 60 I 7.42 3.20 1.76 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.29 0.86 0.00 0.00 61 E 7.98 3.46 0.00 1.77 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.20 0.00 62 V 7.39 4.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.93 0.00 0.00 63 S 7.44 5.14 0.00 4.11 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.95 3.99 0.00 1.74 1.84 0.00 2.85 0.00 0.00 2.85 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 65 F 8.40 5.64 0.00 3.33 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 9.15 5.25 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.90 4.56 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.99 0.00 0.00 68 V 8.69 4.61 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 1.18 0.00 0.00 69 V 8.88 4.45 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 1.09 0.00 0.00 70 V 8.45 3.44 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.14 0.00 0.00 71 S 8.40 5.74 0.00 4.14 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 9.11 3.94 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 73 N 8.75 4.90 0.00 3.16 2.82 0.00 0.00 6.67 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.29 3.88 0.00 3.21 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.13 4.06 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.52 3.87 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.57 4.39 0.00 3.79 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.81 2.89 0.00 3.69 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 6.84 4.34 0.00 3.32 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 C 7.68 3.86 0.00 2.51 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.26 3.79 0.00 0.38 0.46 -0.31 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.17 4.61 0.00 3.03 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.13 3.97 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 84 L 8.11 3.98 0.00 1.92 1.87 0.48 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.11 3.65 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.22 0.00 0.00 86 T 8.03 3.56 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 87 I 7.92 3.83 2.09 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 1.06 0.00 0.00 88 M 8.48 4.17 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.95 0.00 89 D 8.30 4.40 0.00 2.47 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 7.74 4.74 0.00 3.20 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.54 4.33 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.43 0.00 92 K 8.14 4.07 0.00 2.00 1.87 0.00 1.86 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.48 7.81 93 K 7.47 4.59 0.00 1.96 1.92 0.00 1.88 0.00 0.00 1.81 0.00 0.00 3.52 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.77 1.58 7.81 94 G 7.84 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.38 4.30 0.00 3.98 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.24 4.32 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.37 1.07 0.00 0.00 97 T 8.34 4.67 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 98 V 8.56 4.83 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.10 0.00 0.00 99 M 9.25 4.63 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 100 P 0.00 4.63 0.00 1.45 0.49 0.00 3.53 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.44 0.00 101 I 8.47 4.68 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.36 0.89 0.00 0.00 102 F 9.31 4.73 0.00 2.94 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 9.09 4.39 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 9.30 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.21 4.56 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.17 0.00 0.00 106 E 8.56 4.06 0.00 1.55 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.08 0.00 107 P 0.00 3.27 0.00 1.66 0.90 0.00 3.31 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.03 0.00 108 N 7.80 4.15 0.00 3.10 3.09 0.00 0.00 6.29 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 H 7.83 4.81 0.00 3.46 3.54 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.60 3.69 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 1.20 0.00 0.00 111 R 7.87 3.71 0.00 1.46 1.13 0.00 2.78 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 112 W 7.59 4.81 0.00 3.29 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.68 3.58 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.62 0.00 0.00 0.00 0.00 0.00 1.16 2.06 0.00 114 T 7.93 4.76 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 115 G 8.34 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.23 3.69 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.05 0.00 0.00 117 L 8.23 4.59 0.00 1.97 1.96 1.09 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.76 4.16 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.20 3.99 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 120 Q 7.83 3.91 0.00 2.33 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 121 F 8.85 3.96 0.00 3.26 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.05 4.06 0.00 1.81 2.02 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.49 7.81 123 K 7.82 4.05 0.00 1.74 1.78 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.43 7.81 124 H 7.91 4.21 0.00 3.35 3.52 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.39 4.15 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.80 4.51 0.00 4.04 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.87 4.65 0.00 1.90 1.98 0.00 3.00 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.60 0.00 128 E 7.80 4.70 0.00 1.92 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 129 D 8.26 4.35 0.00 2.60 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.24 0.00 2.17 2.09 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 131 E 8.80 3.94 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 132 K 7.62 3.63 0.00 1.58 1.53 0.00 1.17 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.79 0.21 7.81 133 V 7.60 3.61 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.97 0.00 0.00 134 L 7.95 4.07 0.00 1.93 1.71 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.95 3.96 0.00 1.88 1.81 0.00 1.53 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.52 7.81 136 W 8.26 4.54 0.00 3.94 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.50 3.92 0.00 2.06 2.01 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.91 0.00 138 Q 8.40 3.96 0.00 2.16 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 139 A 8.05 4.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.09 4.08 0.00 1.94 1.99 1.18 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 141 T 7.98 3.73 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 142 N 8.44 4.51 0.00 3.00 2.93 0.00 0.00 6.70 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.83 4.20 0.00 3.19 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.37 4.40 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Q 7.51 4.30 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.82 0.00 0.00 0.00 0.00 0.00 2.22 2.46 0.00 146 L 7.01 4.34 0.00 1.53 1.51 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.49 4.27 0.00 3.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.20 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 D 8.71 5.07 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 C 8.59 5.55 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 9.21 4.24 0.00 3.38 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 8.43 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 8.82 4.49 0.00 2.64 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 7.52 4.38 0.00 2.65 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 D 8.78 4.61 0.00 2.89 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.21 4.11 0.00 3.98 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 K 8.16 4.00 0.00 2.00 1.90 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.62 7.81 158 L 7.83 4.00 0.00 1.89 2.08 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.38 3.60 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.69 0.00 0.00 160 D 8.10 4.32 0.00 2.90 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.22 3.91 0.00 1.83 1.97 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 162 I 7.85 3.63 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.89 0.90 0.00 0.00 163 A 8.01 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 N 8.57 4.24 0.00 2.92 2.86 0.00 0.00 6.70 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.42 3.86 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 166 I 7.74 3.51 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.45 0.74 0.00 0.00 167 S 8.29 4.11 0.00 3.89 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 N 8.16 4.70 0.00 2.71 2.84 0.00 0.00 6.82 8.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 K 7.89 4.52 0.00 1.86 1.82 0.00 1.50 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.65 1.43 7.81 170 K 7.91 4.48 0.00 2.04 2.01 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.74 1.48 7.81 171 T 8.47 4.03 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.